8-azanyl-2-(5-butyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane

Systemtic Name: 8-azanyl-2-(5-butyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Openeye Name: 8-amino-2-(5-butyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane CAS Name: 8-amino-2-(5-butyl-2-propoxyphenyl)-6-purinone; (sulfinoamino)methane IUPAC Name: 8-amino-2-(5-butyl-2-propoxyphenyl)purin-6-one; (sulfinoamino)methane Traditional Name: 8-amino-2-(5-butyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)methane Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCCC)C2=NC(=O)C3=NC(=NC3=N2)N.CNS(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCCC)C2=NC(=O)C3=NC(=NC3=N2)N.CNS(=O)O

InChI

InChI=1S/C18H21N5O2.CH5NO2S/c1-3-5-6-11-7-8-13(25-9-4-2)12(10-11)15-21-16-14(17(24)22-15)20-18(19)23-16;1-2-5(3)4/h7-8,10H,3-6,9H2,1-2H3,(H2,19,21,22,23,24);2H,1H3,(H,3,4)